SCHEMBL9101730

SCHEMBL9101730

NC(=O)c1nc2ncccn2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 2/20 0.47
HPGD P15428 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4158096 0.84 MEN1 (0.57) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL17324580 0.83 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL17321394 0.79 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL3168953 0.76 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL20250778 0.74 MEN1 (0.47) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL2117043 0.72 MEN1 (0.46) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL858832 0.72 MAP4K4 (0.46) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL7195074 0.72 PDE10A (0.45) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL30035416 0.70 PARP1 (0.44) ALDH1A1KMT2AKDM4ETP53RAB9A
SCHEMBL3528939 0.70 RAB9A (0.44) ALDH1A1TSHRMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885TSHR 1003/4885MEN1 4874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.